1-[(1-hydroxycyclohexyl)methyl]cyclobutane-1-carboxylic acid

C12H20O3 — CID 79426153

IUPAC1-[(1-hydroxycyclohexyl)methyl]cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(CC2(O)CCCCC2)CCC1
InChIInChI=1S/C12H20O3/c13-10(14)11(5-4-6-11)9-12(15)7-2-1-3-8-12/h15H,1-9H2,(H,13,14)
InChIKeyBRBZSYYEOFCJJK-UHFFFAOYSA-N
MW212.29 g/mol
LogP2.33
Rot. Bonds3

About 1-[(1-hydroxycyclohexyl)methyl]cyclobutane-1-carboxylic acid

1-[(1-hydroxycyclohexyl)methyl]cyclobutane-1-carboxylic acid (PubChem CID 79426153) has the molecular formula C12H20O3 and a molecular weight of 212.29 g/mol. Its IUPAC name is 1-[(1-hydroxycyclohexyl)methyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(1-hydroxycyclohexyl)methyl]cyclobutane-1-carboxylic acid
PubChem CID79426153
Molecular FormulaC12H20O3
Molecular Weight212.29 g/mol
Exact Mass212.14
IUPAC Name1-[(1-hydroxycyclohexyl)methyl]cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(CC2(O)CCCCC2)CCC1
InChIInChI=1S/C12H20O3/c13-10(14)11(5-4-6-11)9-12(15)7-2-1-3-8-12/h15H,1-9H2,(H,13,14)
InChIKeyBRBZSYYEOFCJJK-UHFFFAOYSA-N
XLogP2.33
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1-hydroxycyclopentyl)methyl]cyclobutane-1-carboxylic acid
CID 79424868
4-[(1-hydroxycyclopentyl)methyl]oxane-4-carboxylic acid
CID 79425395
1-[(1-hydroxycyclopentyl)methyl]-4,4-dimethylcyclohexane-1-carboxylic acid
CID 79429318
1-[(1-carboxycyclopentyl)methyl]cyclopentane-1-carboxylic acid
CID 19091044
1-[(1-hydroxycyclohexyl)methyl]-3-methylcyclohexane-1-carboxylic acid
CID 79426055
4-tert-butyl-1-[(1-hydroxycyclopentyl)methyl]cyclohexane-1-carboxylic acid
CID 79426221
4-butyl-1-[(1-hydroxycyclopentyl)methyl]cyclohexane-1-carboxylic acid
CID 79424914
1-(fluoromethyl)cycloheptane-1-carboxylic acid
CID 84766672
1-(carboxymethyl)cyclotridecane-1-carboxylic acid
CID 18620498
1-[2-[(1-hydroxycyclopentyl)methylamino]-2-oxoethyl]cycloheptane-1-carboxylic acid
CID 65108325
1-(2-hydroxyethyl)cyclohexane-1-carboxylic acid
CID 3060307
1-[5-(1-carboxycyclohexyl)pentyl]cyclohexane-1-carboxylic acid
CID 19090977

Frequently Asked Questions

What is the IUPAC name of 1-[(1-hydroxycyclohexyl)methyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[(1-hydroxycyclohexyl)methyl]cyclobutane-1-carboxylic acid (CID 79426153) is 1-[(1-hydroxycyclohexyl)methyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[(1-hydroxycyclohexyl)methyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[(1-hydroxycyclohexyl)methyl]cyclobutane-1-carboxylic acid is O=C(O)C1(CC2(O)CCCCC2)CCC1.
What is the InChIKey of 1-[(1-hydroxycyclohexyl)methyl]cyclobutane-1-carboxylic acid?
The InChIKey is BRBZSYYEOFCJJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O3/c13-10(14)11(5-4-6-11)9-12(15)7-2-1-3-8-12/h15H,1-9H2,(H,13,14).
What are the key properties of 1-[(1-hydroxycyclohexyl)methyl]cyclobutane-1-carboxylic acid?
1-[(1-hydroxycyclohexyl)methyl]cyclobutane-1-carboxylic acid has a molecular weight of 212.29 g/mol, XLogP of 2.33, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-hydroxycyclohexyl)methyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 79426153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).